CID 24847108

1,3,8-triazaspiro(4.5)decan-4-one, 3-methyl-1-phenyl-8-(4-phenylbut-3-ynyl)-

Structural Information

Molecular Formula
C24H27N3O
SMILES
CN1CN(C2(C1=O)CCN(CC2)CCC#CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H27N3O/c1-25-20-27(22-13-6-3-7-14-22)24(23(25)28)15-18-26(19-16-24)17-9-8-12-21-10-4-2-5-11-21/h2-7,10-11,13-14H,9,15-20H2,1H3
InChIKey
VSSWKFGSRYTPFO-UHFFFAOYSA-N
Compound name
3-methyl-1-phenyl-8-(4-phenylbut-3-ynyl)-1,3,8-triazaspiro[4.5]decan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.21542 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.22270 195.8
[M+Na]+ 396.20464 208.8
[M+NH4]+ 391.24924 200.8
[M+K]+ 412.17858 196.4
[M-H]- 372.20814 192.8
[M+Na-2H]- 394.19009 200.8
[M]+ 373.21487 196.1
[M]- 373.21597 196.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.